SCHEMBL12467962

SCHEMBL12467962

FCCn1c(-c2cccnc2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.54
CYP11B1 P15538 2/20 0.53
MAPT P10636 2/20 0.52
NOS2 P35228 1/20 0.52
HPGD P15428 1/20 0.50
KDM4E B2RXH2 3/20 0.48
PDE6D O43924 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH3A1 P30838 1/20 0.48
GRM2 Q14416 1/20 0.47
RAD51 Q06609 1/20 0.47
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
LCK P06239 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TBXAS1 P24557 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12469964 0.86 JAK2 (0.52) CYP11B1MAPTHPGDKDM4EPDE6D
SCHEMBL28902001 0.85 CYP11B2 (0.58) CYP11B2CYP11B1MAPTHPGDKDM4E
SCHEMBL29411940 0.85 CYP11B2 (0.58) CYP11B2CYP11B1MAPTHPGDKDM4E
SCHEMBL12116699 0.83 CYP11B2 (0.70) CYP11B2CYP11B1MAPTHPGDKDM4E
SCHEMBL29411897 0.81 ALDH1A1 (0.76) CYP11B2MAPTHPGDKDM4EPDE6D
SCHEMBL13668118 0.80 MAPT (0.55) CYP11B2CYP11B1MAPTNOS2HPGD
SCHEMBL16604025 0.80 MAPT (0.62) CYP11B2CYP11B1MAPTNOS2KDM4E
SCHEMBL29076122 0.80 KDM4E (0.65) CYP11B2CYP11B1MAPTNOS2HPGD
SCHEMBL30581241 0.80 KDM4E (0.65) CYP11B2CYP11B1MAPTNOS2HPGD
SCHEMBL13668123 0.79 MAPT (0.54) CYP11B2CYP11B1MAPTNOS2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 CYP11B2 3021/4885CYP11B1 3035/4885MAPT 1/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 CYP11B2 2883/4885CYP11B1 2597/4885MAPT 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.